methyl 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-cyclohexyl-5-piperonyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)CSC1=NN=C(N1C2CCCCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N3O4S/c1-24-18(23)11-27-19-21-20-17(22(19)14-5-3-2-4-6-14)10-13-7-8-15-16(9-13)26-12-25-15/h7-9,14H,2-6,10-12H2,1H3